4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(piperonylamino)methylene]-2-pyrazolin-3-one Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O6/c1-33-20-9-3-17(4-10-20)24-21(14-26-13-16-2-11-22-23(12-16)35-15-34-22)25(30)28(27-24)18-5-7-19(8-6-18)29(31)32/h2-12,14,26H,13,15H2,1H3